MOLECULAR-ORBITAL DESCRIPTION OF SURFACE CHEMI-LUMINESCENCE

Using molecular orbital (MO) correlation diagrams it is shown that the chemiluminescence observed during halogen chemisorption on sodium can be ascribed to the filling of the initially empty antibonding halogen MO by a radiative process. On the basis of the competition between radiative and resonance hole neutralization the chemiluminiscence spectra are calculated and shown to agree with experimental results. © 1979.